CID 135412778

Asoxime dichloride

Structural Information

Molecular Formula
C14H16N4O3
SMILES
C1=CC=[N+](C(=C1)/C=N/O)COC[N+]2=CC=C(C=C2)C(=O)N
InChI
InChI=1S/C14H14N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-9H,10-11H2,(H-,15,19)/p+2
InChIKey
FJZDLOMCEPUCII-UHFFFAOYSA-P
Compound name
1-[[2-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

445
References

149
Patents

288.12225 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12953 166.4
[M+Na]+ 311.11147 172.4
[M-H]- 287.11497 170.5
[M+NH4]+ 306.15607 177.2
[M+K]+ 327.08541 157.7
[M+H-H2O]+ 271.11951 161.9
[M+HCOO]- 333.12045 188.4
[M+CH3COO]- 347.13610 190.1
[M+Na-2H]- 309.09692 176.7
[M]+ 288.12170 164.2
[M]- 288.12280 164.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe